Compound Identification
SMILES
CCOC(=O)C(C)(N1C=NC2=C1C(=O)N(C)C(=O)N2C)C(=O)OCC
InChIKey
InChIKey=CCURPRVGQZXQRA-UHFFFAOYSA-N
Formula
C15H20N4O6
Mass
352.347
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Xanthines
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alpha amino acids and derivatives Alkaloids and derivatives Pyrimidones N-substituted imidazoles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid esters Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - Pyrimidone - Dicarboxylic acid or derivatives - N-substituted imidazole - Pyrimidine - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available